data_AVS_bmrb_pdb_report_30744 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30744 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 11 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 30744 1 1 1 1 215 NH UNSUPPORTED . . . . . . . 30744 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 11 LYS CA 58.684 . 56.95 2.2 4.3059e-01 30744 1 1 1 1 11 LYS CB 29.129 . 32.79 1.78 3.9711e-02 30744 1 1 1 1 11 LYS CG 25.1565 . 24.89 1.13 8.1356e-01 30744 1 1 1 1 11 LYS CD 26.178 . 28.96 1.08 9.9972e-03 30744 1 1 1 1 11 LYS H 7.9466 . 8.19 0.6 6.8499e-01 30744 1 1 1 1 11 LYS HA 4.01636363636 . 4.27 0.44 5.6431e-01 30744 1 1 1 1 11 LYS HB2 1.913 . 1.78 0.25 5.9473e-01 30744 1 1 1 1 11 LYS HG2 1.50466666667 . 1.37 0.26 6.0449e-01 30744 1 1 1 1 11 LYS HZ1 7.522 U . 0 . 30744 1 1 1 1 11 LYS HZ2 7.522 U . 0 . 30744 1 1 1 1 11 LYS HZ3 7.522 U . 0 . 30744 1 1 1 1 11 LYS N 119.038 . 121.05 3.77 5.9356e-01 30744 1 1 1 1 11 LYS NZ 120.641 A 33.81 2.81 0.0000e+00 30744 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 11 LYS LEU 0.81 30744 1 1 1 1 11 LYS LYS 0.18 30744 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30744 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 30744 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30744 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30744 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30744 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_